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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Monte Carlo simulations of Cu/Ni–Si–Mn co-precipitation in duplex stainless steels

First-Passage Kinetic Monte Carlo (FPKMC) simulations of species migration in duplex stainless steels were performed in order to establish relationships between alloy content, segregation behavior, and the formation of Ni-Si-Mn rich particles in cast duplex stainless steels during thermal aging. The Ni-Si-Mn-rich second phase forms after extended aging at reactor operating temperatures and degrades alloy properties. Simulations of Ni-Si-Mn cluster formation were validated through comparison with experimental results obtained through Atom Probe Tomography (APT) on similar alloy compositions, identifying several trends. First, Cu promotes the formation of Ni-Si-Mn clusters, but only when Ni or Mn prefer segregation to the surface of Cu particles; without the segregation of these species, the critical composition for the clusters to form was not achieved. Second, the width of precipitate-denuded zones near ?/d interfaces increases with decreasing Cu content. This finding was in strong agreement with APT results, further validating our model. Finally, our model predicts that Ni-Si-Mn cluster formation will be the most extensive when the Si:Mn ratio is approximately 1:1 and the least extensive when one of these key elements is less concentrated (Mn = 0.5 at.% or Si = 0.5 at.%). The implications of these results on how to improve alloy properties are discussed.

Cu co-precipitation, Atom probe tomography (APT), ↗
DOE OSTI2023

Isotopic Constraints on the Nature of Primary Precipitates in Archean–Early Paleoproterozoic Iron Formations from Determinations of the Iron Phonon Density of States of Greenalite and 2L- and 6L-Ferrihydrite

Iron formations (IFs) are chemical sedimentary rocks that were widely deposited before the Great Oxidation Event (GOE) around 2.4- 2.2 Ga. It is generally thought that IFs precipitated as hydrated Fe 3+ oxides (HFOs) such as ferrihydrite following surface oxidation of Fe 2+ -rich, anoxic deep waters. This model often implicates biological oxidation and underpins reconstructions of marine nutrient concentrations. However, nanoscale petrography indicates that an Fe 2+ silicate, greenalite, is a common primary mineral in well-preserved IFs, motivating an alternative depositional model of anoxic ferrous silicate precipitation. It is unclear, however, if Fe 2+ -rich silicates can produce the Fe isotopic variations in IFs that are well explained by Fe 2+ oxidation. To address this question, we constrain the equilibrium Fe isotopic ( 56 Fe/ 54 Fe) fractionation of greenalite and ferrihydrite by determining the iron phonon densities of states for those minerals. Here, we use ab initio density functional theory (DFT + U) calculations and nuclear resonant inelastic X-ray scattering spectroscopy to show that ferrous greenalite should be isotopically lighter than ferrihydrite by similar to 1-1.2 parts per thousand at equilibrium, and fractionation should scale linearly with increasing Fe 3+ content in greenalite. By anchoring ferrihydrite-greenalite mineral pair fractionations to published experimental Fe isotopic fractionations between HFOs and aqueous Fe 2+ , we show that ferrous greenalite may produce all but the heaviest pre-GOE Fe isotopic compositions and mixed valence greenalites can produce the entire record. Our results suggest that heavy Fe isotope enrichments alone are not diagnostic of primary IF mineralogies, and ferrihydrite and partially oxidized or even purely ferrous greenalite are all viable primary IF mineralogies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Effects of organized convection parameterization on the MJO and precipitation in E3SMv1. Part I: Mesoscale heating

Mesoscale organization of convection is typically not represented in global circulation models, and hence its influence on the global circulation is not accounted for. The heating component of a parameterization that represents the dynamical and physical effects of circulations associated with organized convection, referred to as the multiscale coherent structure parameterization (MCSP), is implemented in the Energy Exascale Earth System Model version 1 (E3SMv1). Numerical simulations are conducted to assess its impact on the simulated climate. Besides E3SMv1 simulations, we performed high-resolution (1 km) simulations using the Weather Research and Forecasting (WRF) Model to determine the temperature tendencies induced by mesoscale convective systems embedded in deep convection. We tuned the free parameters of the MCSP based on the WRF simulations. MCSP heating enhances Kevin wave spectra in E3SMv1, improves the representation of the Madden-Julian Oscillation, and impacts on mean precipitation that vary with locations and seasons, including a reduction of biases over the tropical Pacific.

Climate Modeling↗
DOE OSTI2024

Increasing extreme hourly precipitation risk for New York City after Hurricane Ida

The remnants of Hurricane Ida caused major damage and death in the United States on September 1st, 2021, and 11 people drowned in flooded basement apartments within New York City (NYC). It was catastrophic because the maximum hourly precipitation intensity, recorded as 3.47 inches (88.1 mm) per hour at Central Park, was unprecedentedly high for the NYC region. The stormwater infrastructure in NYC is built for 1.75 inches (44.5 mm) per hour, and so understanding the dynamic risk associated with Ida can inform city planning efforts for climate change’s impact on short duration extreme precipitation events. We contextualize this storm’s record-breaking hourly intensity within the historical record as well as project its risk in the near- to medium-term future using nonstationary stochastic models. These models are conditioned on average temperature (T avg ) and cooling degree day (CDD) projections from three climate models as a covariate, each with a SSP 126 and SSP 370 scenario. The likelihood of such a storm was slowly increasing even before Ida happened, but the projected aggregate reoccurrence risk of an event of Ida’s magnitude over time from the non-stationary models ranges from 4 to 52 times higher than the risk given by the stationary model. Using CDD as a covariate resulted in risks that were more than twice the magnitude than when using T avg . Presenting both covariates provides a broader envelope of uncertainty, which highlights the importance and nuances in the choice of a regionally appropriate covariate for non-stationary risk analysis.

Mossel, Carolien↗
DOE OSTI2024

Characterization of Precipitation-Strengthening Heat-Resistant Austenitic Stainless Steels for Life-Prediction Modeling

In this study, the role of minor alloying additions in 347H stainless steels (UNS34709, ASTM A240/240M) on creep-rupture properties at 650-750°C and microstructure evolution during isothermal exposure at 750°C has been investigated, aiming to provide the experimental dataset as boundary conditions of physics-based modeling for material/component life prediction. Four different 347H heats containing various amounts of boron and nitrogen additions were prepared and evaluated. The combined additions of B and N are found to stabilize the strengthening secondary M23C6 carbides and retarding the transition from M23C6 to sigma phase precipitates during thermal exposure. The observed kinetics of microstructure evolution reasonably explains the improvement of creep-rupture properties of 347H stainless steels with the B and N additions.

Yamamoto, Yukinori↗
DOE OSTI2021

Remote Sensing of Electric Fields Observed Within Winter Precipitation During the 2020 Investigation of Microphysics and Precipitation for Atlantic Coast-Threatening Snowstorms (IMPACTS) Field Campaign

Aircraft electric fields from NASA's Lightning Instrument Package (LIP) were coupled with other airborne and ground-based, and in situ measurements to understand electrification in winter clouds that did not produce lightning. The measurements were made during seven research flights by a NASA ER-2 during the 2020 Investigation of Microphysics and Precipitation for Atlantic Coast-Threatening Snowstorms (IMPACTS) campaign. Observed total electric field magnitudes were as high as 80 V m -1 and variability in the electric field was observed along the flight path of the ER-2, indicating horizontal and/or vertical inhomogeneity in the cloud's electrical structure. X-band airborne radar data indicated 20-dBZ echo tops above 5 km in regions where electrification exceeded 10 V m -1 . In these regions, 85-GHz brightness temperatures (TB) from an airborne radiometer were lower than 265 K, with the lowest T B (~210 K) associated with ice scattering collocated with the strongest electric fields. In situ microphysical measurements from the NASA P-3 aircraft on February 7 indicated that regions near strong electric field contained supercooled water, rimed ice hydrometeors, ice water p- content as high as 1 g m -3 , liquid water content as high as 0.15 g m -3 , and supersaturation as high as 3.5%. Furthermore, these observations support the role of mixed phase microphysics in the generation of electric fields in clouds. In three case studies, ground based S-band polarimetric radar observed depolarization streaks in differential reflectivity near areas where the strongest electrification was observed. This observation reinforces the utility of depolarization streaks to identify areas of electrification prior to lightning occurrence.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

SAIL Field Campaign X-Band Precipitation Radar Surface Quantitative Precipitation Estimation (SQUIRE) Value-Added Product Report

In 2010, the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility procured 3- and 5-cm wavelength radars for documenting the macrophysical, microphysical, and dynamical structure of precipitating systems. In order to maximize the scientific impact, ARM supported the development of an application chain to correct for various phenomena in order to retrieve the lowest retrieved value on a Cartesian grid. This report details the motivation, science, and progress to date, as well as charting a path forward.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Developing Methods to Assess Changes in Mechanical Properties of Shale Modified by Engineered Mineral Precipitation

Fractures in subsurface shale formations serve multiple purposes, for example, in the recovery of resources in hydraulic fracturing or as potential harmful leakage passages through caprocks that may contribute undesired fluids to the atmosphere or functional groundwater aquifers. A proposed method to seal or influence fracture properties is Ureolysis-Induced Calcium Carbonate Precipitation (UICP), a bio-mineralization technology driven by the enzymatic hydrolysis of urea, resulting in the formation of calcium carbonate. The resulting calcium carbonate can bridge the gaps in fractured shale and reduce fluid flow through fractures. This study represents the first step toward determining the influence of UICP treatment on shale material and its subsequent mechanical strength properties. The goal of this preliminary work is twofold: first, we aim to identify a method to test tensile strength along a core axis and second, we seek to assess the effect of temperature on the tensile strength of intact, unfractured shale cores (2.54 cm (1 in) diameter, 5.08 cm (2 in) long for comparison with future fractured and UICP-treated cores. A modified Brazilian indirect tensile strength test successfully measured splitting tensile strength of shale cores from Eagle Ford and Wolfcamp formations at room temperature and 60°C.

clastic rock↗
DOE OSTI2021

A microstructure-based modeling approach to predict the mechanical properties of Zr alloy with hydride precipitates

In nuclear reactors, hydrides can form in fuel cladding due to hydrogen absorption in ZIrcaloy and cause embrittlement. This work presents a microstructure-based finite element model to predict the stress-strain response of Zircaloy containing hydrides. Quantitative microstructural details extracted from scanning electron microscopy (SEM) images were used to generate heterogeneous microstructures including the morphology and spatial distribution of hydrides. The constitutive material model for zircaloy in this study is based on crystal plasticity theory which considers the hexagonal close-packed (HCP) atomic structure of Zircaloy material. The hydrides were modeled as brittle material along with a damage model. Hydride formation inside the zircoloy matrix results in residual stress. This phenomenon is also captured in this model. A parametric study has been conducted to understand the effect of volume fraction, orientation, and lamellae thickness of the hydride phase on the mechanical properties of the overall material.

Kulkarni, Shank S.↗